matter.farm

Computer-generated molecule database for public drug discovery. About this project.

These compounds may interact with:

Adenosine receptor A1

Potentially involved in: carcinoma; vascular disease; retinal ischemia; epilepsy; morphine dependence; catalepsy; transient ischemic attack; drug allergy; hypotension; ischemia; myocardial infarction; nerve degeneration; prenatal exposure delayed effects; schizophrenia; subarachnoid hemorrhage; substance withdrawal syndrome; adverse reaction to drug; ventricular dysfunction; bradycardia; infarction, middle cerebral artery

Disease data sourced from Pharos.

Activator

FORMULA:C21H22FN7O3

SMILES: CCCn1c(=O)c2[nH]c([C@@H]3COc4nc(-c5ccc(F)cc5)nn43)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-01T14:12:11.753427
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5cccc(F)c5)n4)c3)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-01T14:12:11.765305
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C22H25N9O4

SMILES: CC(C)n1c(=O)c2[nH]c(-c3ccnn3Cc3noc(C4=CON=C[C@@H]4C)n3)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-12-01T14:12:11.777467
ATC: S01X
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OTHER OPHTHALMOLOGICALS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccco2)nc2nnn(Cc3ccc(F)cc3)c12

BIRTHDAY: 2018-12-01T14:12:11.786209
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(F)cc5)n4)c3)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-01T14:12:11.798163
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccoc2)c2c(nnn2Cc2cccc(F)c2)n1

BIRTHDAY: 2018-12-01T14:12:11.807335
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C15H10F2N6O

SMILES: Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)c(F)c3)c2n1

BIRTHDAY: 2018-12-01T14:12:11.816605
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C15H17F2NO2

SMILES: NC1=CC[C@H]2CO[C@@](CO)(c3cccc(F)c3F)[C@@H]1C2

BIRTHDAY: 2018-12-01T14:12:11.824419
ATC: H03B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- THYROID THERAPY
- ANTITHYROID PREPARATIONS
Synthesis Plan
FORMULA:C22H41N3O

SMILES: CCCN1C(=O)N(CCC(C)C)CC2=C1CCCNCCC(C)(C)CC2

BIRTHDAY: 2018-12-01T14:12:11.832037
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccco2)nc2c1nnn2Cc1ccc(F)cc1

BIRTHDAY: 2018-12-01T14:12:11.840867
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C13H15N7O2

SMILES: Nc1nc(-c2ccco2)c2nnn(C[C@H]3CCCNO3)c2n1

BIRTHDAY: 2018-12-01T14:12:11.849993
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C23H25N5O2

SMILES: COc1ccccc1-c1nc(N[C@H](CO)c2ccccc2)nc2ncn(C(C)C)c12

BIRTHDAY: 2018-12-01T14:12:11.859715
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C20H22N4O3S

SMILES: COc1cccc(-c2cncnc2N2NC(=O)SC(C(C)=O)=C2C(C)(C)C)c1

BIRTHDAY: 2018-12-01T14:12:11.869214
ATC: D04A
- DERMATOLOGICALS
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccoc2)nc2nnn(Cc3cccc(F)c3)c12

BIRTHDAY: 2018-12-01T14:12:11.878139
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C18H15N3O2

SMILES: O=C(Nc1c(-c2ccccc2)ncnc1-c1ccoc1)C1CC1

BIRTHDAY: 2018-12-01T14:12:11.887549
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C20H25N5O2S

SMILES: COc1ccc(CNc2nc(C(=O)NCCCN(C)C)nc3ccsc23)cc1

BIRTHDAY: 2018-12-01T14:12:11.896701
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C18H15N3O2

SMILES: O=C(Nc1nc(-c2ccccc2)cc(-c2ccco2)n1)C1CC1

BIRTHDAY: 2018-12-01T14:12:11.904842
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C16H12FN5O

SMILES: Nc1nc(-c2ccco2)nc2c1ncn2Cc1ccc(F)cc1

BIRTHDAY: 2018-12-01T14:12:11.913414
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C21H27N5O5

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)c2c(ncn2[C@@]2(CO)COCC2(O)O)n1

BIRTHDAY: 2018-12-01T14:12:11.924617
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C21H17N5O3

SMILES: C[C@H](C(=O)O)C(=O)Nc1ccccc1-c1cnc(C#N)nc1Nc1ccccc1

BIRTHDAY: 2018-12-25T02:04:12.673635
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H27N5O5

SMILES: COc1ccc(-c2nc(NC(C)(C)C)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1

BIRTHDAY: 2018-12-25T02:04:12.684515
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C21H29NO4

SMILES: C[C@@H]1[C@@H]2C[C@](O)(C(=O)N[C@H](Cc3ccccc3)C(=O)O)[C@]1(C)CC2(C)C

BIRTHDAY: 2018-12-25T02:04:12.692835
ATC: H03B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- THYROID THERAPY
- ANTITHYROID PREPARATIONS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CC(C)n1c(=O)c2nc(-c3ccnn3Cc3nc(-c4ccccc4F)no3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-25T02:04:12.704658
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(F)cc5)no4)c3)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-25T02:04:12.716485
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H25FN6O5

SMILES: CNC(=O)[C@@]1(N2C=N[C@@H]3N=C(NCc4ccc(F)cc4)N=C(C#C[C@H](C)O)[C@@H]32)CCOC1(O)O

BIRTHDAY: 2018-12-25T02:04:12.728374
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C25H27N5O6

SMILES: COc1ccccc1-c1nc(N[C@H](CO)c2ccccc2)nc2ncn([C@@]3(CO)COCC3(O)O)c12

BIRTHDAY: 2018-12-25T02:04:12.741720
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C33H34N4O7

SMILES: COc1ccc2cc1CO[C@@H](OC[C@@H](CO)OC)C(C(=O)c1ccccc1)=CCCOc1cc(ccn1)-c1ccnc(n1)N2

BIRTHDAY: 2018-12-25T02:04:12.767040
ATC: A11C
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
Synthesis Plan
FORMULA:C23H32N6O2

SMILES: COc1ccc(-c2nc(NC(C)(C)N3CCOCC3)c3c(ncn3C(C)(C)C)n2)cc1

BIRTHDAY: 2018-12-25T02:04:12.777143
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3)c2n1

BIRTHDAY: 2018-12-25T02:04:12.786151
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C23H24F3N7O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)c4ccc(C(F)(F)F)cc4)nn3C)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-25T02:04:12.798241
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C11H12N4O2

SMILES: CC[C@@]12[N-][CH+]N[C@@]1(c1ccoc1)NC=NC2=O

BIRTHDAY: 2018-12-25T02:04:12.806304
ATC: D06A
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- ANTIBIOTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C21H27N5O5

SMILES: COc1ccc(-c2nc(NC(C)(C)C)c3ncn([C@@H]4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1

BIRTHDAY: 2018-12-03T02:40:19.753212
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C21H27N5O5

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)c2c(ncn2[C@]2(CO)COCC2(O)O)n1

BIRTHDAY: 2018-12-03T02:40:19.776640
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C18H19N3Si

SMILES: Cc1cccc(-c2ncnc(-c3ccccc3)c2N(C)[SiH3])c1

BIRTHDAY: 2018-12-03T02:40:19.784083
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C30H40N8O2

SMILES: CC(C)Cc1c2cccc1CN1CC=CC(=N1)c1cnn(c1)-c1c(c(=O)n(C(C)C)c(=O)n1C(C)C)NCNC2

BIRTHDAY: 2018-12-03T02:40:19.808041
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C21H27N5O5

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)nc2ncn([C@@]3(CO)COC(O)(O)C3)c12

BIRTHDAY: 2018-12-03T02:40:19.819767
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H23F3N8O3

SMILES: CC(C)n1c(=O)c2nc(-c3c(N)n[nH]c3NC(=O)c3ccccc3C(F)(F)F)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-03T02:40:19.832220
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccoc2)nc2nnn(Cc3ccc(F)cc3)c12

BIRTHDAY: 2018-12-03T02:40:19.852920
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H23ClN8O3

SMILES: CC(C)n1c(=O)c2nc(-c3ccnn3Cc3nc(-c4ccccc4Cl)no3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-03T02:40:19.864609
ATC: V09D
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- HEPATIC AND RETICULO ENDOTHELIAL SYSTEM
Synthesis Plan
FORMULA:C25H33ClN4O3

SMILES: CCCn1c(=O)c2[nH]c(-c3ccc(Cl)cc3)nc2n(C2CCCCCOCCCCC2)c1=O

BIRTHDAY: 2018-12-03T02:40:19.904784
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C22H25FN8O3

SMILES: CC(C)n1c(=O)c2nc(-c3c(NC(=O)Cc4ccccc4F)n[nH]c3N)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-03T02:40:19.916310
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CC(C)n1c(=O)c2[nH]c(-c3ccnn3Cc3nc(-c4ccccc4F)no3)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-12-03T02:40:19.928007
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H27N5O5

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)nc2ncn([C@@]3(CO)COCC3(O)O)c12

BIRTHDAY: 2018-11-30T03:42:16.000667
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C24H25N5O2

SMILES: COc1ccccc1-c1nc(N)c2c(n1)C(=O)c1cccc([C@]3(N)CCCN[C@@H]3C)c1-2

BIRTHDAY: 2018-11-30T03:42:16.010841
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis plan pending
FORMULA:C23H23FN8O3

SMILES: CC(C)n1c(=O)c2nc(-c3ccnn3Cc3noc(-c4ccccc4F)n3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-30T03:42:16.047023
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis plan pending
FORMULA:C21H22N6O

SMILES: COc1ccccc1-c1cc(Nc2nc3ccccc3n2C[C@@H](C)N)ncn1

BIRTHDAY: 2018-11-30T03:42:16.089019
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis plan pending
FORMULA:C18H17F3N6O2

SMILES: Cc1nc(CNc2ncc(C(=O)Nc3c(C)cccc3C)c(C(F)(F)F)n2)[o+][n-]1

BIRTHDAY: 2018-11-30T03:42:16.099349
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C21H27N5O5

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)c2c(ncn2[C@@]2(CO)COC(O)(O)C2)n1

BIRTHDAY: 2018-11-30T03:42:16.109959
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis plan pending
FORMULA:C21H27N5O5

SMILES: COc1cccc(-c2nc(NC(C)(C)C)c3c(ncn3[C@]3(CO)COCC3(O)O)n2)c1

BIRTHDAY: 2018-11-30T03:42:16.133292
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C34H47N3O3

SMILES: CCCn1c2c(c(=O)n(CCc3ccccc3)c1=O)CCCCCCCNCCc1ccc(cc1CC(C)C)O2

BIRTHDAY: 2018-11-30T03:42:16.143937
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis plan pending
FORMULA:C25H27N5O6

SMILES: COc1ccc(-c2nc(N[C@@H](CO)c3ccccc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1

BIRTHDAY: 2018-11-30T03:42:16.155800
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis plan pending
FORMULA:C23H23FN8O3

SMILES: CC(C)n1c(=O)c2nc(-c3ccnn3Cc3noc(-c4ccc(F)cc4)n3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-30T03:42:16.167647
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis plan pending
FORMULA:C22H24N4S

SMILES: C[C@H]1C[C@@H]2C[C@H](CN2Cc2ccccc2)N1c1ncc(-c2ccccn2)s1

BIRTHDAY: 2018-11-30T03:42:16.200721
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis plan pending
FORMULA:C27H29N5O3

SMILES: COc1cccc(-c2nc(N)c3c(n2)C(=O)c2cccc([C@]4(N)CNC[C@H](C(=O)C(C)C)C4)c2-3)c1

BIRTHDAY: 2018-11-19T08:11:40.489193
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C25H24N4O4

SMILES: O=C(NCc1ccncc1)c1ccccc1[C@]12C=CC=C[C@@]1(N1CCOCC1)C(=O)N=CO2

BIRTHDAY: 2018-11-19T08:11:40.500386
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis plan pending
FORMULA:C32H62O3

SMILES: CCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)CCCC[C@]1(C)CC(=O)O[C@@H]1O

BIRTHDAY: 2018-11-19T08:11:40.508418
ATC: H02C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- ANTIADRENAL PREPARATIONS
Synthesis plan pending
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccco2)c2c(nnn2Cc2ccccc2F)n1

BIRTHDAY: 2018-11-19T08:11:40.529617
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis plan pending
FORMULA:C25H27N5O6

SMILES: COc1ccccc1-c1nc(N[C@@H](CO)c2ccccc2)nc2ncn([C@@]3(CO)CCOC3(O)O)c12

BIRTHDAY: 2018-11-19T08:11:40.542825
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C23H24F3N7O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)nn3C)nc2n(CCC)c1=O

BIRTHDAY: 2018-11-19T08:11:40.554834
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis plan pending
FORMULA:C22H26N8O4

SMILES: COc1ccccc1C(=O)Nc1[nH]nc(N)c1-c1nc2c([nH]1)c(=O)n(C(C)C)c(=O)n2C(C)C

BIRTHDAY: 2018-11-19T08:11:40.578560
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis plan pending
FORMULA:C24H31N5O2

SMILES: CC(C)n1c(=O)c2nc(-c3ccccc3)[nH]c2n([C@]2(C)[C@@H]3CCCCN2CCC3)c1=O

BIRTHDAY: 2018-11-19T08:11:40.609718
ATC: M05B
- MUSCULO-SKELETAL SYSTEM
- DRUGS FOR TREATMENT OF BONE DISEASES
- DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis plan pending
FORMULA:C21H27N5O5

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)nc2ncn([C@@]3(CO)CCOC3(O)O)c12

BIRTHDAY: 2018-11-19T08:11:40.621677
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C31H28N10O2

SMILES: Nc1nc(-c2ccco2)c2nnn(Cc3ccc4cc3CNCC=CCCOc3cccc(c3)-c3ccnc(n3)N4)c2n1

BIRTHDAY: 2018-11-19T08:11:40.635014
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis plan pending
FORMULA:C23H23FN8O3

SMILES: CC(C)n1c(=O)c2[nH]c(-c3ccnn3Cc3noc(-c4ccccc4F)n3)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:11:40.655701
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis plan pending
FORMULA:C33H29N7O

SMILES: COc1cccc(-c2ncc3c(n2)CCn2ccc4ccc(cc42)-c2ccnc(n2)Nc2cccc(c2)CNC3)c1

BIRTHDAY: 2018-11-19T08:11:40.667710
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis plan pending
FORMULA:C21H27N5O5

SMILES: COc1ccc(-c2nc(NC(C)(C)C)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1

BIRTHDAY: 2018-11-19T08:11:40.678417
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis plan pending
FORMULA:C33H32N8O4S

SMILES: CCCn1c(=O)c2[nH]c(-c3ccnn3-c3nc4cc(n3)-c3cccc(c3)OCCCOc3cccc(c3)S4)nc2n(CCC)c1=O

BIRTHDAY: 2018-11-19T08:11:40.692802
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis plan pending
FORMULA:C26H20FN5O3

SMILES: Nc1ncc2c(n1)N(c1ccc(F)cc1)C(=O)c1ccc(nc1)OCC=CCOc1cccc-2c1

BIRTHDAY: 2018-11-19T08:11:40.704144
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis plan pending
FORMULA:C20H18FN5O2

SMILES: Fc1ccccc1Cn1cnc2nc(-c3ccoc3)nc(N3CCOCC3)c21

BIRTHDAY: 2018-11-19T08:11:40.736811
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis plan pending
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccco2)nc2c1nnn2Cc1ccccc1F

BIRTHDAY: 2018-11-19T08:11:40.775529
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis plan pending
FORMULA:C19H23F3N8O

SMILES: C[C@]1(n2nnc3nc(-c4ccoc4)nc(NCC(F)(F)F)c32)[C@@H](N)C[C@H]2CCC[C@H]1N2

BIRTHDAY: 2018-11-19T08:11:40.787034
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:C21H27N5O5

SMILES: COc1ccc(-c2nc(NC(C)(C)C)c3ncn([C@H]4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1

BIRTHDAY: 2018-11-19T08:11:40.797805
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis plan pending
FORMULA:C17H14N6O2

SMILES: Nc1nc(-c2ccco2)c2c(ncn2C(=O)NCc2ccccc2)n1

BIRTHDAY: 2018-11-19T08:11:40.818756
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis plan pending
FORMULA:C23H24F3N7O3

SMILES: CC(C)n1c(=O)c2nc(-c3cnn(C)c3NC(=O)c3ccccc3C(F)(F)F)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-11-19T08:11:40.830900
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:C20H17N5OS

SMILES: O=C(NCc1ccccc1)c1nc(NCc2ccccn2)c2ccsc2n1

BIRTHDAY: 2018-11-19T08:11:40.840405
ATC: A11C
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
Synthesis plan pending
FORMULA:C21H27N5O5

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)nc2ncn([C@]3(CO)COCC3(O)O)c12

BIRTHDAY: 2018-11-19T08:11:40.852432
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis plan pending
FORMULA:C22H17FN4

SMILES: Fc1ccc(CNc2cc(-c3ccccc3)nc(-c3ccccn3)n2)cc1

BIRTHDAY: 2018-11-19T08:11:40.861115
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis plan pending
FORMULA:C32H62O3

SMILES: CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)[C@@]1(O)CCOC1=O

BIRTHDAY: 2018-11-19T08:11:40.881418
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis plan pending
FORMULA:C21H20N4O2

SMILES: COc1ccc(-c2nc(N)nc3c2C(=O)c2ccc(CN(C)C)cc2-3)cc1

BIRTHDAY: 2018-11-19T08:11:40.890633
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis plan pending
FORMULA:C16H12FN5O

SMILES: Nc1nc(-c2ccco2)nc2c1ncn2Cc1ccccc1F

BIRTHDAY: 2018-11-30T17:24:35.824834
ATC: D06B
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- CHEMOTHERAPEUTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C21H36N2O6

SMILES: CCCn1ccc(=O)n(C[C@H]2OCCCCCCC[C@@H](O)[C@@H](O)CC[C@H]2O)c1=O

BIRTHDAY: 2018-11-30T17:24:35.854915
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CC(C)n1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(F)cc5)no4)c3)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-11-30T17:24:35.875362
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C15H11FN6O

SMILES: Nc1nc(-c2ccoc2)nc2c1nnn2Cc1cccc(F)c1

BIRTHDAY: 2018-11-30T17:24:35.884235
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C15H10F2N6O

SMILES: Nc1nc(-c2ccoc2)nc2nnn(Cc3cc(F)cc(F)c3)c12

BIRTHDAY: 2018-11-30T17:24:35.934665
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H23F3N8O3

SMILES: CC(C)n1c(=O)c2[nH]c(-c3c(N)n[nH]c3NC(=O)c3ccccc3C(F)(F)F)nc2n(C(C)C)c1=O

BIRTHDAY: 2018-11-30T17:24:35.947100
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C25H27N5O6

SMILES: COc1ccc(-c2nc(N[C@@H](CO)c3ccccc3)c3ncn([C@H]4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1

BIRTHDAY: 2018-11-30T17:24:35.991136
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C21H20N2O4S

SMILES: CC1(C)NC=CSC(C(=O)O)=C1c1cccc(C(=O)Nc2ccccc2O)c1

BIRTHDAY: 2018-12-02T16:07:45.055481
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C25H27N5O6

SMILES: COc1ccc(-c2nc(N[C@H](CO)c3ccccc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1

BIRTHDAY: 2018-12-02T16:07:45.130240
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C35H39N5O2

SMILES: COc1ccc(-c2nc(NC(C)(C)C)nc3c2nc2n3Cc3cccc(c3)COCCCc3cccc(c3)CC2)cc1

BIRTHDAY: 2018-12-02T16:07:45.183764
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C31H33N5O7

SMILES: COc1cccc(-c2nc(N[C@@H](CO)c3ccccc3)c3c(ncn3[C@]3(CO)CO[C@@]4(CC[C@H]5C=C(O)O[C@H]4O5)C3)n2)c1

BIRTHDAY: 2018-12-02T16:07:45.206378
ATC: D10A
- DERMATOLOGICALS
- ANTI-ACNE PREPARATIONS
- ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C18H31N5O5

SMILES: CC(C)CNC(=O)CN1N=C(CC(=O)NC(C)(C)N(C)C)C(=O)C=CC1(O)O

BIRTHDAY: 2018-12-03T10:44:06.230559
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C11H12N4S

SMILES: C1=S=NN([C@@H]2C[C@@H](c3ccccc3)N=N2)C1

BIRTHDAY: 2018-12-03T10:44:06.277728
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C28H42N8O5

SMILES: COc1ccc(-c2nc(NC(C)(C)C)c3ncn([C@@H]4O[C@]5(CO)NCCNCCNCCOC[C@@H]5[C@H]4O)c3n2)cc1

BIRTHDAY: 2018-12-03T10:44:06.324381
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C23H34N4O2S2

SMILES: CC(C)n1c2c(c(=O)n(C(C)C)c1=O)NCCNCCS[C@H]1C=CC=CC1=CCSC2

BIRTHDAY: 2018-12-03T10:44:06.355107
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C22H26N8O4

SMILES: COc1ccccc1C(=O)Nc1[nH]nc(N)c1-c1nc2c(=O)n(C(C)C)c(=O)n(C(C)C)c2[nH]1

BIRTHDAY: 2018-12-03T10:44:06.366806
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C23H23FN8O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5cccc(F)c5)no4)c3)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-03T19:12:31.972723
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H23FN6O4

SMILES: CCCN1C[C@H](C(=O)Nc2nc(Nc3ccc(F)cc3)ncc2C(=O)NCC)OC1=O

BIRTHDAY: 2018-12-03T19:12:32.010846
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C17H30N10O3

SMILES: CC(C)n1c(=O)c2nc(C3(C(=O)N[C@@H](C)N(C)C)NNNN3)[nH]c2n(C(C)C)c1=O

BIRTHDAY: 2018-12-03T19:12:32.034466
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C25H29N7O4

SMILES: COc1ccccc1-c1nc(NC(C)(C)C)c2c(ncn2[C@@]2(C3=CNN=CC=C3)COCC2(O)O)n1

BIRTHDAY: 2018-12-03T19:12:32.066998
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C21H28N10O3

SMILES: CC(C)Nc1cncn(-c2c(-c3nc4c([nH]3)c(=O)n(C(C)C)c(=O)n4C(C)C)n[nH]c2N)c1=O

BIRTHDAY: 2018-12-03T19:12:32.078867
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H27N9O3

SMILES: CCCn1c(=O)c2[nH]c(-c3cn[nH]c3NC3=NN(C(C)C)CO3)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-03T19:12:32.141678
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H29N7O4

SMILES: COc1cccc(CC(=O)Nc2nn(C)cc2-c2nc3c(=O)n(C(C)C)c(=O)n(C(C)C)c3[nH]2)c1

BIRTHDAY: 2018-12-01T22:31:37.598452
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C20H25N5O2S

SMILES: COc1cccc(CNc2nc(C(=O)NCCCN(C)C)nc3ccsc23)c1

BIRTHDAY: 2018-12-01T22:31:37.607718
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C24H25N5O2

SMILES: CCCn1cc(NC(=O)c2cc(C)nn2-c2ccccc2)c(-c2ccc(OC)cc2)n1

BIRTHDAY: 2018-12-01T22:31:37.617492
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C28H27N7O3

SMILES: COc1ccccc1-c1n[nH]cc1-c1ccnc(Nc2ccc(C(=O)NC[C@H](O)C3=C(C)C=NC3)cc2)n1

BIRTHDAY: 2018-12-01T22:31:37.693352
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C15H17N7O3

SMILES: CCCn1c(=O)c2[nH]c(-c3n[nH]c4ncoc34)nc2n(CCC)c1=O

BIRTHDAY: 2018-12-01T22:31:37.703264
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C17H14N6O2

SMILES: Nc1nc(-c2ccoc2)c2c(ncn2C(=O)NCc2ccccc2)n1

BIRTHDAY: 2018-12-01T22:31:37.745640
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C31H30N10O5

SMILES: CCCn1c(=O)n([C@@H]2OCC=CCOCc3coc(c3)-c3ccnc(n3)Nc3cccc2c3)c(=O)c2nc(-c3cn[nH]c3N)[nH]c21

BIRTHDAY: 2018-12-01T22:31:37.761693
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan